SCHEMBL19971317

SCHEMBL19971317

C=C(C)C(=O)OC[N+](CCC)(CCC)CCCS(=O)(=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
BBOX1 O75936 2/20 0.38
THRB P10828 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19971230 0.94 TSHR (0.43) TSHRBBOX1THRB
SCHEMBL19971229 0.90 BBOX1 (0.42) TSHRBBOX1THRB
SCHEMBL19971222 0.88 TSHR (0.53) TSHRBBOX1THRB
SCHEMBL19971174 0.82 TSHR (0.56) TSHRBBOX1THRB
SCHEMBL19971244 0.81 BBOX1 (0.49) TSHRBBOX1THRB
SCHEMBL19971312 0.81 TSHR (0.41) TSHRBBOX1THRB
SCHEMBL19971203 0.81 TSHR (0.46) TSHRBBOX1THRB
SCHEMBL19971318 0.78 BBOX1 (0.34) TSHRBBOX1
SCHEMBL25625858 0.76 THRB (0.47) TSHRBBOX1THRB
SCHEMBL19971176 0.75 BBOX1 (0.38) BBOX1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10995160-B2 Protein aggregation inhibitor OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2021-05-04 US disclosed
US-20190161563-A1 PROTEIN AGGREGATION INHIBITOR OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2019-05-30 US disclosed
US-20180118859-A1 PROTEIN AGGREGATION INHIBITOR OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2018-05-03 US disclosed
EP-3296314-A1 PROTEIN AGGREGATION INHIBITOR Osaka Organic Chemical Industry Ltd. (JP) 2018-03-21 EP disclosed